3PZK
Crystal Structure of the Mycobacterium tuberculosis crotonase in apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 133.796, 133.734, 103.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.996 - 2.230 |
| Rwork | 0.203 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mj3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.649 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.260 |
| High resolution limit [Å] | 2.230 | 6.450 | 2.230 |
| Rmerge | 0.051 | 0.024 | 0.258 |
| Number of reflections | 44632 | ||
| <I/σ(I)> | 13.5 | 99.76 | 10 |
| Completeness [%] | 98.3 | 83 | 99.9 |
| Redundancy | 3.6 | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20% PEG3350, 0.2 M LiCl, and 20% glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
